183105

3,3-Dimethyl-1-butanol

97%

• Synonym(s): Neohexanol
• Linear Formula: (CH₃)₃CCH₂CH₂OH
• CAS Number: 624-95-3
• Molecular Weight: 102.17
• Beilstein: 1731466
• EC Number: 210-872-6
• MDL number: MFCD00002928
• UNSPSC Code: 12352100
• PubChem Substance ID: 24851033
• NACRES: NA.22

Properties

• Assay: 97%
• form: liquid
• refractive index: n20/D 1.414 (lit.)
• bp: 143 °C (lit.)
• mp: −60 °C (lit.)
• density: 0.844 g/mL at 25 °C (lit.)
• SMILES string: CC(C)(C)CCO
• InChI: 1S/C6H14O/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3
• InChI key: DUXCSEISVMREAX-UHFFFAOYSA-N

Description

General description

3,3-Dimethyl-1-butanol is a glass forming material. The molecular dynamics of 3,3-dimethyl-1-butanol was studied.

Application

3,3-Dimethyl-1-butanol is a branched alkanol, which can be used:

• As a ligand in the preparation of nickel based single-molecule magnets.
• In the synthesis of lipophilic alkyl parabens as antifungal agents.
• As a precursor to synthesize hydrocarbon surfactants.

Safety Information

• Pictograms: GHS02
• Signal Word: Warning
• Hazard Statements: H226
• Hazard Classifications: Flam. Liq. 3
• Storage Class Code: 3 - Flammable liquids
• WGK: WGK 3
• Flash Point(F): 116.6 °F - closed cup
• Flash Point(C): 47 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves